Compound Detail
CHEMBL131777
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL131777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUDWCZHMLGCBCZ-UHFFFAOYSA-N |
5
Targets
17
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
192.3
MW (Da)
0.93
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 12 meas. best 7.6
EC50 5 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 7.6 | 6.77 | 25.0 | 9 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 7.0 | 6.8167 | 100.0 | 3 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | EC50 | 6.17 | 6.07 | 680.0 | 3 |
| Muscarinic acetylcholine receptors; M2 & M3 CHEMBL2095187 | EC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | EC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptor M2 | 12 |
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptor | 9 |
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptor M1 | 6 |
| 7990109 | 10.1021/jm00050a006 | Rattus norvegicus | 6 |
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptor M3 | 2 |
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptors; M2 & M3 | 1 |
Data from ChEMBL 36 via Core Engine